1,3-dihydro-2-benzofuran-5-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone

C19H23N3O2 — CID 56779132

IUPAC1,3-dihydro-2-benzofuran-5-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCc1cnn(CC2CCCCN2C(=O)c2ccc3c(c2)COC3)c1
InChIInChI=1S/C19H23N3O2/c1-14-9-20-21(10-14)11-18-4-2-3-7-22(18)19(23)15-5-6-16-12-24-13-17(16)8-15/h5-6,8-10,18H,2-4,7,11-13H2,1H3
InChIKeyLDZOIGVRPAJKAO-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.92
Rot. Bonds3

About 1,3-dihydro-2-benzofuran-5-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone

1,3-dihydro-2-benzofuran-5-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 56779132) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID56779132
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1,3-dihydro-2-benzofuran-5-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCc1cnn(CC2CCCCN2C(=O)c2ccc3c(c2)COC3)c1
InChIInChI=1S/C19H23N3O2/c1-14-9-20-21(10-14)11-18-4-2-3-7-22(18)19(23)15-5-6-16-12-24-13-17(16)8-15/h5-6,8-10,18H,2-4,7,11-13H2,1H3
InChIKeyLDZOIGVRPAJKAO-UHFFFAOYSA-N
XLogP2.92
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

US11597728, Example 443
CID 159007358
1,3-Dihydro-2-benzofuran-5-yl-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53605741
1,3-Dihydro-2-benzofuran-5-yl-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
CID 53625262
1,3-Dihydro-2-benzofuran-5-yl-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 56779590
1,3-Dihydro-2-benzofuran-5-yl-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 72044271
(3-Methylphenyl)-[3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 118740906
(2-Methylphenyl)-[3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 118740911
2-[(2S)-1-amino-3-(3,5-difluorophenyl)propan-2-yl]-5-[4-(ethoxymethyl)-1-methylpyrazol-5-yl]-3H-isoindol-1-one
CID 71554742
2-[(2S)-1-amino-3-(3,5-difluorophenyl)propan-2-yl]-5-[1-methyl-4-(propoxymethyl)pyrazol-5-yl]-3H-isoindol-1-one
CID 71554743
2-[1-amino-3-(3,5-difluorophenyl)propan-2-yl]-5-[4-(ethoxymethyl)-1-methylpyrazol-5-yl]-3H-isoindol-1-one
CID 78110046
2-[1-amino-3-(3,5-difluorophenyl)propan-2-yl]-5-[1-methyl-4-(propoxymethyl)pyrazol-5-yl]-3H-isoindol-1-one
CID 78110047
2-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-5-[4-(methoxymethyl)-1-methylpyrazol-5-yl]-3H-isoindol-1-one
CID 89499479

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone (CID 56779132) is 1,3-dihydro-2-benzofuran-5-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone is Cc1cnn(CC2CCCCN2C(=O)c2ccc3c(c2)COC3)c1.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is LDZOIGVRPAJKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-9-20-21(10-14)11-18-4-2-3-7-22(18)19(23)15-5-6-16-12-24-13-17(16)8-15/h5-6,8-10,18H,2-4,7,11-13H2,1H3.
What are the key properties of 1,3-dihydro-2-benzofuran-5-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
1,3-dihydro-2-benzofuran-5-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 325.41 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran-5-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 56779132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).